2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine

C14H21NO2 — CID 105496707

IUPAC2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCNCC(c1cccc(OC)c1)C1CCOC1
InChIInChI=1S/C14H21NO2/c1-15-9-14(12-6-7-17-10-12)11-4-3-5-13(8-11)16-2/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3
InChIKeyTYMZAGLPPDCHQA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine

2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine (PubChem CID 105496707) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
PubChem CID105496707
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
SMILESCNCC(c1cccc(OC)c1)C1CCOC1
InChIInChI=1S/C14H21NO2/c1-15-9-14(12-6-7-17-10-12)11-4-3-5-13(8-11)16-2/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3
InChIKeyTYMZAGLPPDCHQA-UHFFFAOYSA-N
XLogP2.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine (CID 105496707) is 2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine is CNCC(c1cccc(OC)c1)C1CCOC1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
The InChIKey is TYMZAGLPPDCHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-9-14(12-6-7-17-10-12)11-4-3-5-13(8-11)16-2/h3-5,8,12,14-15H,6-7,9-10H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine?
2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 105496707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).